# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 117.99 4.85 10.53 17.02 117.38 -157.69 -100.67 135.69 99.59 0.17 0.24 99.35 0.18 0.16 0.18 0.02 0.00 0.08 0.04 1 A C C 82.98 2.51 8.74 12.92 114.67 -132.25 -86.85 139.06 79.15 4.09 16.76 73.92 1.43 4.30 14.37 2.08 0.00 2.56 1.35 2 F C C 152.33 3.10 6.66 11.54 113.65 -142.54 -94.13 128.58 62.87 7.65 29.47 46.44 8.94 7.01 24.74 5.55 0.02 5.23 2.07 3 R C C 169.98 2.11 8.19 12.01 115.50 -155.43 -98.14 132.53 53.24 8.53 38.24 38.34 8.05 6.65 30.45 8.20 0.03 6.74 1.54 4 R C H 166.90 2.48 8.09 12.35 115.08 -145.95 -96.49 132.50 46.55 8.19 45.26 32.41 7.38 7.09 35.19 9.87 0.04 6.66 1.37 5 L H H 116.31 3.55 8.06 13.39 114.62 -145.94 -95.06 128.30 43.88 8.14 47.98 30.69 7.14 6.71 38.45 9.03 0.04 6.57 1.36 6 V C H 103.05 3.56 8.55 13.90 115.92 -153.61 -96.28 135.47 48.56 8.29 43.16 34.66 7.28 6.98 36.82 6.18 0.04 6.50 1.55 7 K C C 141.25 3.21 9.28 14.33 114.03 -142.42 -93.31 131.39 54.96 6.62 38.41 38.27 8.25 8.04 34.14 4.88 0.03 5.07 1.31 8 R C C 158.41 3.49 9.47 14.76 113.97 -152.71 -95.75 130.04 53.50 5.42 41.09 36.85 9.87 6.68 36.52 4.96 0.02 4.06 1.04 9 H C C 129.06 4.21 9.79 15.70 112.75 -146.11 -92.45 132.93 53.53 5.54 40.93 39.52 6.53 7.11 36.04 5.42 0.01 4.31 1.06 10 K C H 138.33 3.52 10.59 15.64 110.17 -146.68 -89.25 120.13 50.95 6.92 42.13 35.22 7.64 8.27 36.34 5.84 0.03 5.18 1.46 11 I C H 98.60 6.35 9.16 16.88 112.48 -145.63 -94.42 119.52 52.36 6.93 40.72 35.86 8.39 8.32 36.27 4.64 0.04 4.77 1.71 12 T C C 85.58 4.41 11.04 16.87 108.23 93.19 -95.59 54.18 61.76 4.51 33.73 40.45 11.50 9.17 31.41 3.40 0.03 2.75 1.29 13 N C C 87.89 4.56 11.18 17.15 109.17 55.31 -92.25 108.14 73.65 1.75 24.60 55.07 13.09 4.16 24.50 1.73 0.00 0.82 0.62 14 N H H 103.36 4.18 11.60 17.10 95.71 -145.25 -67.10 -31.40 14.85 0.41 84.74 5.65 2.66 7.32 73.76 10.17 0.05 0.26 0.14 15 Q H H 113.62 2.77 12.33 15.91 94.29 57.23 -68.94 -35.88 10.05 0.35 89.60 2.89 1.42 5.68 76.52 13.10 0.05 0.26 0.09 16 M H H 89.43 5.23 11.24 18.02 95.19 53.98 -70.88 -33.44 6.85 0.29 92.87 2.12 0.96 3.62 77.99 15.00 0.02 0.23 0.05 17 L H H 84.96 6.19 10.58 18.26 96.39 58.56 -73.48 -24.43 11.10 0.48 88.43 3.04 1.51 6.41 75.63 12.90 0.05 0.35 0.11 18 L H H 108.35 3.54 11.73 16.46 100.34 56.63 -84.68 -4.74 27.70 1.29 71.01 6.30 3.69 18.01 60.63 9.85 0.20 0.86 0.45 19 M H H 107.63 4.93 10.21 16.80 110.31 93.14 -85.65 124.81 48.24 2.05 49.71 16.68 10.17 23.01 42.01 6.07 0.15 1.09 0.83 20 R C C 161.81 2.84 11.37 15.81 110.39 -147.95 -88.08 119.21 64.22 3.42 32.36 30.04 11.00 23.45 26.40 5.83 0.06 1.99 1.25 21 R C C 145.35 4.91 9.01 15.71 113.84 -145.28 -90.93 127.95 75.00 6.08 18.91 46.78 13.61 14.20 14.30 5.15 0.02 3.76 2.18 22 R C C 156.39 3.43 9.57 14.89 112.91 -156.60 -94.88 124.94 80.48 9.55 9.97 55.68 14.72 9.32 6.76 3.53 0.01 5.52 4.46 23 E C C 125.37 3.28 10.08 15.19 118.26 -122.90 -93.25 139.80 90.20 7.04 2.76 57.57 29.04 4.05 1.10 1.56 0.00 4.88 1.80 24 P C C 98.03 3.64 10.44 15.85 110.52 -104.57 -67.95 145.65 91.26 5.33 3.41 57.26 20.28 13.76 0.75 2.69 0.00 4.18 1.07 25 Y C C 144.59 5.25 9.06 16.12 114.22 -131.07 -95.82 133.07 86.23 10.13 3.64 61.50 16.26 7.88 1.12 2.71 0.00 5.73 4.79 26 K C C 140.16 2.95 11.44 16.30 116.88 -146.64 -100.10 128.61 94.59 4.78 0.62 78.74 15.19 0.82 0.33 0.28 0.00 3.41 1.23 27 P C C 75.53 7.62 9.08 18.19 113.31 -112.72 -67.29 146.00 89.95 6.05 4.00 81.03 5.63 3.34 2.41 1.48 0.00 4.10 2.01 28 T C C 94.62 3.03 10.86 15.48 114.21 -148.41 -94.14 136.44 81.81 9.16 9.03 65.41 9.93 5.42 6.83 2.75 0.01 4.80 4.87 29 M C C 116.27 4.20 8.87 14.82 110.91 -140.79 -90.71 130.21 64.53 5.90 29.57 39.42 16.51 8.94 23.93 5.80 0.06 3.36 1.98 30 K C H 152.04 1.71 11.32 13.75 100.11 81.61 -77.53 -22.83 58.20 3.00 38.80 31.31 17.81 9.83 33.74 4.63 0.04 1.64 0.99 31 D C H 81.76 3.47 10.91 15.76 107.47 58.72 -88.05 97.18 52.03 1.89 46.09 37.43 8.19 6.87 42.13 3.74 0.01 0.94 0.69 32 R H H 149.01 2.98 11.43 15.80 94.77 -113.83 -65.44 -35.49 8.50 0.16 91.34 5.19 1.54 2.46 89.05 1.62 0.00 0.08 0.05 33 Q H H 113.59 1.81 13.70 15.67 93.01 53.55 -65.98 -39.60 4.13 0.11 95.76 1.98 0.67 1.76 94.12 1.37 0.01 0.07 0.03 34 E H H 91.79 3.86 14.08 19.08 92.87 50.76 -66.28 -40.25 3.08 0.11 96.81 1.54 0.48 1.35 95.27 1.26 0.00 0.07 0.02 35 I H H 73.55 4.71 13.95 20.17 92.79 50.71 -65.39 -41.54 1.64 0.05 98.30 0.83 0.24 0.68 97.68 0.52 0.00 0.03 0.01 36 A H H 55.41 2.87 16.39 19.65 92.10 50.78 -64.12 -41.05 1.07 0.03 98.90 0.47 0.13 0.47 98.66 0.24 0.00 0.01 0.00 37 D H H 73.53 3.78 16.67 21.08 92.50 50.12 -65.92 -40.17 1.16 0.03 98.81 0.47 0.14 0.55 98.60 0.21 0.00 0.01 0.01 38 R H H 115.20 4.81 16.74 22.31 92.54 51.01 -65.16 -40.94 0.79 0.02 99.19 0.29 0.09 0.39 99.07 0.15 0.00 0.01 0.00 39 A H H 49.73 3.48 17.00 21.13 91.77 50.80 -64.05 -42.02 0.65 0.01 99.33 0.21 0.07 0.34 99.27 0.11 0.00 0.01 0.00 40 K H H 105.37 3.50 17.71 21.52 92.42 50.52 -65.13 -40.87 0.76 0.01 99.23 0.20 0.07 0.43 99.18 0.11 0.00 0.01 0.00 41 L H H 69.97 5.73 15.75 22.72 92.03 50.77 -64.73 -41.10 0.71 0.01 99.28 0.18 0.07 0.41 99.22 0.11 0.00 0.00 0.00 42 E H H 96.94 3.08 17.48 20.77 91.86 50.88 -64.31 -41.40 0.66 0.01 99.33 0.16 0.07 0.40 99.26 0.12 0.00 0.00 0.00 43 E H H 97.96 2.53 17.16 19.58 92.03 50.03 -64.72 -41.22 0.93 0.01 99.06 0.20 0.09 0.58 98.96 0.16 0.00 0.00 0.00 44 F H H 81.72 5.89 14.42 21.76 92.49 50.57 -65.26 -41.15 1.21 0.01 98.78 0.26 0.12 0.76 98.56 0.29 0.00 0.01 0.00 45 E H H 88.10 5.73 14.20 21.25 92.36 51.64 -64.48 -39.83 2.28 0.02 97.70 0.42 0.21 1.56 97.29 0.50 0.00 0.01 0.01 46 R H H 154.05 1.60 15.81 16.95 92.86 50.74 -67.02 -37.83 6.67 0.06 93.27 0.96 0.62 5.01 92.50 0.85 0.02 0.03 0.03 47 K H H 124.65 2.63 14.31 17.45 93.98 49.27 -71.98 -32.78 16.00 0.26 83.74 2.82 2.30 11.22 82.07 1.29 0.07 0.10 0.13 48 N H H 76.11 7.41 11.00 19.54 99.42 50.27 -88.66 -5.33 44.85 1.32 53.83 15.83 6.14 24.06 50.26 2.39 0.07 0.59 0.66 49 A C T 71.27 4.27 10.92 16.70 97.30 82.50 -70.49 -20.33 60.79 2.36 36.85 19.77 8.60 32.08 29.17 7.88 0.10 1.22 1.17 50 D C T 114.63 1.73 12.35 14.56 100.23 59.52 -83.18 6.60 74.24 1.50 24.26 10.75 10.96 51.24 17.67 7.70 0.07 0.81 0.80 51 G C T 49.08 4.35 11.81 17.45 103.71 -83.32 85.71 8.11 84.33 3.08 12.58 22.17 19.55 43.68 5.43 6.24 0.02 1.91 0.99 52 L C C 99.70 5.51 10.76 17.93 114.69 135.73 -93.51 126.83 74.65 19.87 5.48 51.38 14.36 8.70 2.85 2.83 0.02 15.03 4.83 53 M C C 111.97 5.72 12.22 19.35 114.90 -163.41 -100.69 129.80 67.01 29.34 3.64 43.54 17.39 6.66 1.89 2.03 0.04 23.68 4.77 54 F C C 117.58 7.72 12.28 21.12 116.40 -151.93 -102.48 128.95 68.24 29.57 2.20 45.68 18.91 4.06 1.08 1.32 0.02 23.48 5.45 55 V C C 73.46 7.59 12.54 21.73 120.21 -167.50 -112.05 134.47 81.49 17.85 0.66 67.60 13.05 0.81 0.35 0.34 0.00 15.48 2.38 56 P C C 65.36 7.63 11.76 20.98 113.15 -108.77 -66.12 146.83 82.39 11.38 6.23 77.03 3.28 2.43 2.60 3.07 0.00 9.26 2.31 57 E C G 141.31 3.58 12.13 17.28 97.45 -129.04 -74.27 -17.89 50.55 2.87 46.58 19.35 14.66 18.53 6.34 38.48 0.01 1.85 0.77 58 K H G 144.54 1.93 13.76 16.45 118.05 53.71 -109.89 142.44 46.72 4.74 48.54 16.05 12.86 21.15 6.55 39.04 0.04 3.12 1.19 59 A C G 71.93 5.35 12.20 19.14 110.98 -106.83 -81.14 127.73 48.95 3.86 47.19 24.24 12.15 14.44 5.73 40.05 0.02 2.36 1.01 60 L C S 56.22 13.55 8.38 21.85 118.52 -135.26 -90.55 141.29 97.09 1.78 1.13 36.51 60.18 0.69 0.79 0.24 0.00 0.53 1.07 61 P C C 57.73 4.93 13.39 20.28 115.18 -104.34 -64.42 150.10 98.93 0.17 0.90 97.14 1.55 0.33 0.75 0.08 0.00 0.06 0.08 62 P H H 103.61 2.00 13.44 16.25 91.77 -108.67 -56.77 -37.63 12.32 0.07 87.61 3.00 1.65 7.59 83.57 4.09 0.01 0.03 0.04 63 W H H 144.51 4.25 14.03 19.18 92.30 54.76 -66.22 -36.89 8.97 0.10 90.92 1.87 1.07 6.00 85.81 5.11 0.03 0.06 0.04 64 Q H H 63.13 10.69 13.25 24.77 92.78 50.02 -67.48 -38.80 3.57 0.11 96.32 1.61 0.55 1.56 91.77 4.41 0.00 0.07 0.03 65 K H H 101.48 5.55 16.12 22.85 92.10 53.07 -64.41 -41.07 2.13 0.08 97.79 1.12 0.32 0.83 96.47 1.20 0.00 0.05 0.01 66 S H H 56.79 2.47 19.01 20.84 92.05 50.95 -64.95 -41.02 2.04 0.14 97.83 0.91 0.25 0.97 96.89 0.85 0.00 0.12 0.01 67 L H H 53.84 8.52 17.02 26.67 92.35 50.44 -65.00 -41.76 1.58 0.18 98.24 0.73 0.19 0.73 97.44 0.71 0.00 0.18 0.01 68 A H H 30.05 10.63 15.73 27.70 91.94 51.09 -63.87 -41.66 2.02 0.17 97.80 0.89 0.24 0.95 97.06 0.67 0.00 0.16 0.01 69 H H H 109.80 2.59 19.98 22.03 91.90 50.49 -64.89 -40.91 3.92 0.20 95.88 1.40 0.46 2.13 94.87 0.94 0.01 0.17 0.03 70 N H H 81.02 3.64 18.18 22.05 92.30 49.99 -65.96 -38.93 7.44 0.21 92.35 2.19 0.89 4.50 90.85 1.35 0.02 0.15 0.05 71 A H H 33.93 11.10 13.42 25.58 92.52 53.23 -65.48 -38.65 11.79 0.27 87.94 3.50 1.66 6.99 85.36 2.20 0.03 0.16 0.09 72 K H H 127.69 4.00 16.12 21.11 92.76 53.50 -66.85 -34.97 22.99 0.56 76.44 7.00 3.41 13.44 72.44 3.12 0.06 0.29 0.24 73 A H H 73.46 2.38 15.11 17.62 94.26 55.77 -70.03 -29.17 40.05 0.99 58.96 12.69 6.60 21.93 54.43 3.35 0.07 0.48 0.45 74 L C H 94.51 5.67 12.49 19.40 98.98 55.23 -84.46 -7.26 54.44 1.66 43.90 22.49 11.99 21.29 39.22 3.42 0.07 0.71 0.81 75 G C C 41.15 6.61 12.30 20.06 103.39 71.64 -57.65 -34.61 66.98 1.56 31.46 36.46 12.04 18.37 21.36 10.23 0.02 0.82 0.71 76 S C C 75.12 4.21 12.68 18.13 103.00 54.02 -81.70 2.63 67.44 2.48 30.07 36.45 12.91 17.97 18.44 11.81 0.03 1.41 0.97 77 R C C 147.26 4.55 13.15 19.01 103.34 77.20 -86.81 6.70 60.25 8.08 31.67 37.37 11.64 11.29 19.98 11.97 0.11 5.43 2.21 78 I C C 89.92 8.14 13.06 22.23 107.84 89.16 -88.01 82.23 60.64 11.22 28.15 39.70 11.85 9.07 20.60 7.91 0.12 8.06 2.69 79 N C C 80.29 8.02 15.73 24.46 106.92 53.94 -89.65 87.98 65.33 10.48 24.20 43.43 10.53 10.84 17.67 7.10 0.04 8.20 2.18 80 F C C 79.87 12.98 14.34 27.22 99.31 98.11 -81.35 -5.89 60.29 13.35 26.36 41.80 8.88 9.27 19.54 7.15 0.07 9.65 3.63 81 R C T 123.80 7.53 17.93 26.13 97.31 78.93 -68.41 -34.27 55.78 8.65 35.57 16.15 8.79 30.39 26.00 9.58 0.54 6.31 2.24 82 G C T 30.74 9.63 18.04 27.99 99.59 41.08 -62.94 -28.62 57.93 5.58 36.48 13.07 10.52 33.73 26.66 10.08 0.44 4.08 1.42 83 F C H 61.73 14.23 15.60 29.86 104.21 73.97 -81.78 21.17 46.23 14.06 39.71 27.99 9.99 9.14 31.21 7.86 0.19 10.94 2.69 84 R H H 97.84 9.88 18.88 29.04 108.27 81.57 -84.36 110.82 32.93 27.01 40.07 22.83 5.70 5.01 35.40 4.42 0.15 22.56 3.93 85 V H H 48.42 12.07 16.28 28.93 102.57 51.68 -89.31 -23.10 26.35 31.24 42.41 17.00 4.71 4.80 37.57 4.40 0.14 29.16 2.22 86 R H H 94.52 8.74 16.49 26.08 111.70 37.23 -93.44 135.02 23.96 36.76 39.28 15.75 3.95 4.52 35.65 4.26 0.15 32.51 3.22 87 V H H 53.49 9.64 13.57 24.35 115.02 -132.36 -82.61 154.98 34.61 26.53 38.86 23.91 4.86 5.87 33.20 5.14 0.19 23.84 3.00 88 A C H 70.82 5.93 12.68 19.81 95.75 -103.96 -67.91 -27.38 50.34 11.68 37.98 11.94 7.92 29.78 29.94 7.98 0.69 9.52 2.23 89 D C T 101.82 2.79 13.16 16.57 97.16 50.82 -89.05 2.30 76.08 1.57 22.36 7.78 9.15 58.24 16.86 6.16 0.12 0.96 0.72 90 G C T 50.02 4.65 11.75 18.10 99.01 -105.11 81.34 7.78 91.42 3.94 4.64 23.04 28.40 40.66 1.48 2.69 0.01 2.75 0.98 91 Q C C 104.63 4.11 12.68 18.46 115.60 134.80 -90.74 140.46 83.96 13.93 2.10 61.22 16.16 6.31 0.71 1.50 0.00 9.76 4.35 92 D C C 97.71 5.59 12.44 19.72 111.70 -118.48 -84.25 126.31 82.09 16.13 1.78 58.95 18.25 4.60 0.55 1.42 0.00 11.08 5.16 93 E C C 83.69 9.61 11.48 22.25 117.48 -156.27 -101.99 130.75 89.89 9.39 0.72 73.26 14.85 1.67 0.22 0.55 0.00 6.94 2.51 94 P C T 90.51 4.81 14.22 20.46 110.70 -112.22 -66.72 142.55 90.71 7.60 1.69 32.84 13.12 45.63 0.28 1.47 0.00 5.44 1.22 95 G C T 47.96 5.48 14.54 21.19 103.17 19.32 85.19 -0.15 92.78 5.72 1.49 28.18 18.47 46.79 0.19 1.42 0.00 3.86 1.07 96 F C C 87.92 10.10 10.89 22.07 117.89 122.37 -97.94 132.62 89.26 10.20 0.55 58.10 30.29 1.46 0.16 0.40 0.00 5.59 3.99 97 P C C 79.85 6.04 14.04 21.37 112.50 -105.58 -69.62 146.84 90.43 8.97 0.60 72.69 14.60 2.82 0.14 0.55 0.00 6.10 3.10 98 T C C 64.16 9.29 10.47 20.88 118.62 -135.15 -99.73 139.54 91.36 7.27 1.37 64.57 22.47 4.18 0.29 1.27 0.00 3.96 3.27 99 P C C 92.38 4.22 12.02 17.71 102.42 -120.61 -71.28 30.86 90.83 4.89 4.27 52.20 19.84 18.63 0.64 4.08 0.00 3.02 1.59 100 F C C 126.47 6.18 8.80 16.33 106.34 78.40 -89.26 73.21 92.59 3.32 4.09 77.49 3.27 12.16 0.86 2.80 0.00 1.98 1.42 101 R C C 153.85 4.27 11.72 17.56 109.71 104.56 -92.03 109.77 99.59 0.30 0.10 99.26 0.25 0.20 0.03 0.02 0.00 0.17 0.06